3-methyl-7-(3-methylbutyl)-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(1-methyl-2-oxo-propyl)sulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(3-oxobutan-2-ylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione Traditional Name: 7-isoamyl-8-[(2-keto-1-methyl-propyl)thio]-3-methyl-xanthine Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SC(C)C(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N4O3S/c1-8(2)6-7-19-11-12(18(5)14(22)17-13(11)21)16-15(19)23-10(4)9(3)20/h8,10H,6-7H2,1-5H3,(H,17,21,22)